5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole

C59H35N5O — CID 155043111

IUPAC5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6c(cc5-n5c7ccccc7c7cc8ccccc8cc75)oc5ccccc56)n4)ccc32)cc1
InChIInChI=1S/C59H35N5O/c1-2-18-42(19-3-1)63-50-23-11-8-20-43(50)46-32-41(28-29-52(46)63)58-60-57(40-27-26-36-14-4-5-15-37(36)30-40)61-59(62-58)49-34-48-45-22-10-13-25-55(45)65-56(48)35-54(49)64-51-24-12-9-21-44(51)47-31-38-16-6-7-17-39(38)33-53(47)64/h1-35H
InChIKeyGLDIRMZAGBKOTR-UHFFFAOYSA-N
MW829.96 g/mol
LogP15.27
Rot. Bonds5

About 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole

5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 155043111) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID155043111
Molecular FormulaC59H35N5O
Molecular Weight829.96 g/mol
Exact Mass829.28
IUPAC Name5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6c(cc5-n5c7ccccc7c7cc8ccccc8cc75)oc5ccccc56)n4)ccc32)cc1
InChIInChI=1S/C59H35N5O/c1-2-18-42(19-3-1)63-50-23-11-8-20-43(50)46-32-41(28-29-52(46)63)58-60-57(40-27-26-36-14-4-5-15-37(36)30-40)61-59(62-58)49-34-48-45-22-10-13-25-55(45)65-56(48)35-54(49)64-51-24-12-9-21-44(51)47-31-38-16-6-7-17-39(38)33-53(47)64/h1-35H
InChIKeyGLDIRMZAGBKOTR-UHFFFAOYSA-N
XLogP15.27
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.96
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167348086
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347889
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154
5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700691
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
12-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700834
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699692
12-[2-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166700403
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (CID 155043111) is 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6c(cc5-n5c7ccccc7c7cc8ccccc8cc75)oc5ccccc56)n4)ccc32)cc1.
What is the InChIKey of 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is GLDIRMZAGBKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-2-18-42(19-3-1)63-50-23-11-8-20-43(50)46-32-41(28-29-52(46)63)58-60-57(40-27-26-36-14-4-5-15-37(36)30-40)61-59(62-58)49-34-48-45-22-10-13-25-55(45)65-56(48)35-54(49)64-51-24-12-9-21-44(51)47-31-38-16-6-7-17-39(38)33-53(47)64/h1-35H.
What are the key properties of 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 829.96 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 155043111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).